3ACX
 
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673 | | Descriptor: | Dehydrosqualene synthase, N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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3VJD
 | | Crystal structure of the Y248A mutant of C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus | | Descriptor: | Dehydrosqualene synthase, L(+)-TARTARIC ACID | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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3VJ9
 | | Crystal structure of the human squalene synthase | | Descriptor: | CALCIUM ION, NICKEL (II) ION, Squalene synthase | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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3VJ8
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2ZCO
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8IS9
 | | CrtMLIKE with one FsPP molecule | | Descriptor: | CrtM, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | | Authors: | Park, J.Y. | | Deposit date: | 2023-03-20 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | CrtMLIKE with one FsPP molecule
To Be Published
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8ISA
 | | CrtMLIKE with one GsPP molecule | | Descriptor: | CrtM, GERANYL S-THIOLODIPHOSPHATE | | Authors: | Park, J.Y. | | Deposit date: | 2023-03-20 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | CrtMLIKE with one GsPP molecule
To Be Published
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8IS7
 | | CrtMLIKE with two FsPP molecules. | | Descriptor: | CrtM, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | | Authors: | Park, J.Y. | | Deposit date: | 2023-03-20 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CrtMLIKE with two FsPP molecules.
To Be Published
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3ACW
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-651 | | Descriptor: | (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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7VWT
 | | Carbazole Prenyl Transferase CqsB4 | | Descriptor: | 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione, CqsB4, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Suemune, H, Nagata, R, Kuzuyama, T, Nagano, S. | | Deposit date: | 2021-11-11 | | Release date: | 2022-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Basis for the Prenylation Reaction of Carbazole-Containing Natural Products Catalyzed by Squalene Synthase-Like Enzymes.
Angew.Chem.Int.Ed.Engl., 61, 2022
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3WEG
 | | Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate and magnesium ion | | Descriptor: | MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | | Deposit date: | 2013-07-07 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into the catalytic mechanism of human squalene synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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3VJA
 | | Crystal structure of the human squalene synthase | | Descriptor: | NICKEL (II) ION, Squalene synthase | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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2ZY1
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-830 | | Descriptor: | Dehydrosqualene synthase, dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2009-01-10 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results.
J.Med.Chem., 52, 2009
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3WEI
 | | Crystal structure of the human squalene synthase Y73A mutant in complex with presqualene pyrophosphate | | Descriptor: | MANGANESE (II) ION, Squalene synthase, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | | Deposit date: | 2013-07-07 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural insights into the catalytic mechanism of human squalene synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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3V66
 | | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid | | Descriptor: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase | | Authors: | Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N. | | Deposit date: | 2011-12-18 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of novel tricyclic compounds as squalene synthase inhibitors
Bioorg.Med.Chem., 20, 2012
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3ACY
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702 | | Descriptor: | (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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3WEK
 | | Crystal structure of the human squalene synthase F288L mutant in complex with presqualene pyrophosphate | | Descriptor: | MAGNESIUM ION, Squalene synthase, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | | Deposit date: | 2013-07-07 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insights into the catalytic mechanism of human squalene synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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3WEH
 | | Crystal structure of the human squalene synthase in complex with presqualene pyrophosphate | | Descriptor: | MAGNESIUM ION, Squalene synthase, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J. | | Deposit date: | 2013-07-07 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural insights into the catalytic mechanism of human squalene synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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3ADZ
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with intermediate PSPP | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-31 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3VJC
 | | Crystal structure of the human squalene synthase in complex with zaragozic acid A | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Squalene synthase, ... | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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3WE9
 | | The crystal structure of YisP from Bacillus subtilis subsp. subtilis strain 168 | | Descriptor: | Putative phytoene/squalene synthase YisP, TRIETHYLENE GLYCOL | | Authors: | Hu, Y, Huang, C.H, Chan, H.C, Ko, T.P, Feng, X, Oldfield, E, Guo, R.T. | | Deposit date: | 2013-07-02 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structure of Bacillus subtilis YisP in complex with a PEG fragment
To be Published
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2ZCR
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-698 | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, tripotassium (1R)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E. | | Deposit date: | 2007-11-11 | | Release date: | 2008-03-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
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5IYS
 | | Crystal structure of a dehydrosqualene synthase in complex with ligand | | Descriptor: | MAGNESIUM ION, Phytoene synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | | Authors: | Liu, G.Z, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-03-24 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of a dehydrosqualene synthase in complex with ligand
to be published
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4F6X
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112 | | Descriptor: | 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ... | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2012-05-15 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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3TFP
 | | Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | | Descriptor: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
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